N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine

C10H17N3O3 — CID 62595972

IUPACN-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O3/c1-14-6-4-11-10-12-9(13-16-10)7-8-3-2-5-15-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyFDNTZXGSBADOOG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.85
Rot. Bonds6

About N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine

N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62595972) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID62595972
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCOCCNc1nc(CC2CCCO2)no1
InChIInChI=1S/C10H17N3O3/c1-14-6-4-11-10-12-9(13-16-10)7-8-3-2-5-15-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyFDNTZXGSBADOOG-UHFFFAOYSA-N
XLogP0.85
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
N-(2-methoxyethyl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-amine
CID 103476522
2,2-dimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470381
2-N-(2-methoxyethyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112885846
N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347217
5-iodo-6-(methoxymethyl)-2-(oxolan-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 66304470
N-methyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63347343
(1R)-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915241
3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 65403682
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 62595972) is N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine is COCCNc1nc(CC2CCCO2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is FDNTZXGSBADOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-14-6-4-11-10-12-9(13-16-10)7-8-3-2-5-15-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 227.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62595972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).